Membranes


N.B.: If you use the following files in your work, please cite the primary source. (see Description field)

Name:plant thylakoid
Lipids: DWMG, DWGG, WPSG, 3WPG, 3PPG, WPGG, WPMG
Forcefield: gromos53a6 deVries2012
Software:Gromacs 4.5
Files: LIM10_plant_thylakoid.gro, LIM10_plant_thylakoid.txt
Parameters and other files
md.mdp
Simulation files
Number:160 lipids
Temperature:300 °K
Equilibration:1200 ns
Tags:plant, thylakoid, spinacia oleracea, spinach
Proteins:
Description:

Primary source: http://cgmartini.nl/index.php/example-applications2/lipid-membranes

PPG, PPT, PDGDG, PDGDT, PMGDG, PMGDT and PSQDG residues have been renamed 3PPG, 3WPG, WPGG, DWGG, WPMG, DWMG and WPSG.

Salt concentration: 88mM

References: vanEerden2015 Biochimica et Biophysica Acta (BBA) - Biomembranes, 1848. Characterization of thylakoid lipid membranes from cyanobacteria and higher plants by molecular dynamics simulations
Composition:
Upper leaflet 1
28 DWMG (vanEerden2015) ( 35.0%)
20 DWGG (vanEerden2015) ( 25.0%)
12 WPSG (vanEerden2015) ( 15.0%)
8 3WPG (vanEerden2015) ( 10.0%)
4 3PPG (vanEerden2015) ( 5.0%)
4 WPGG (vanEerden2015) ( 5.0%)
4 WPMG (vanEerden2015) ( 5.0%)
Lower leaflet 1
28 DWMG (vanEerden2015) ( 35.0%)
20 DWGG (vanEerden2015) ( 25.0%)
12 WPSG (vanEerden2015) ( 15.0%)
8 3WPG (vanEerden2015) ( 10.0%)
4 3PPG (vanEerden2015) ( 5.0%)
4 WPGG (vanEerden2015) ( 5.0%)
4 WPMG (vanEerden2015) ( 5.0%)
Curator: Jean-Marc Crowet on Dec. 10, 2020

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